(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate

C8H13O4P — CID 150505910

IUPAC(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)COP=O
InChIInChI=1S/C8H13O4P/c1-6(2)7(9)12-8(3,4)5-11-13-10/h1,5H2,2-4H3
InChIKeyHYUOJDYFLMCOEW-UHFFFAOYSA-N
MW204.16 g/mol
LogP2.11
Rot. Bonds5

About (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate

(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate (PubChem CID 150505910) has the molecular formula C8H13O4P and a molecular weight of 204.16 g/mol. Its IUPAC name is (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate
PubChem CID150505910
Molecular FormulaC8H13O4P
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)COP=O
InChIInChI=1S/C8H13O4P/c1-6(2)7(9)12-8(3,4)5-11-13-10/h1,5H2,2-4H3
InChIKeyHYUOJDYFLMCOEW-UHFFFAOYSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513
ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
CID 138654943
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[2,4-dimethyl-4-(trimethyl-λ4-sulfanyl)pentan-2-yl] 2-methylprop-2-enoate
CID 167089242
2,2,4-trimethyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 88579591
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
8-[2-methyl-2-(2-methylprop-2-enoyloxy)propoxy]-8-oxooctanoic acid
CID 155658735
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
[2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate
CID 59482747

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate (CID 150505910) is (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)COP=O.
What is the InChIKey of (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate?
The InChIKey is HYUOJDYFLMCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O4P/c1-6(2)7(9)12-8(3,4)5-11-13-10/h1,5H2,2-4H3.
What are the key properties of (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate?
(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate has a molecular weight of 204.16 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 150505910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).